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4,4'-Sulfonyldibenzoic acid, dibutyl ester
SpectraBase Compound ID Cb3Y9GQHYFg
InChI InChI=1S/C22H26O6S/c1-3-5-15-27-21(23)17-7-11-19(12-8-17)29(25,26)20-13-9-18(10-14-20)22(24)28-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
InChIKey DMHQQKCWHVVMKL-UHFFFAOYSA-N
Mol Weight 418.5 g/mol
Molecular Formula C22H26O6S
Exact Mass 418.14501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HlwFgkXqCMr
Name 4-(4-butoxycarbonylphenyl)sulfonylbenzoic acid butyl ester
Alternate Name(s) 4-[4-[butoxy(oxo)methyl]phenyl]sulfonylbenzoic acid butyl ester
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Formula C22H26O6S
InChI InChI=1S/C22H26O6S/c1-3-5-15-27-21(23)17-7-11-19(12-8-17)29(25,26)20-13-9-18(10-14-20)22(24)28-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
InChIKey DMHQQKCWHVVMKL-UHFFFAOYSA-N
Molecular Weight 418.504 g/mol
SMILES c1(S(c2ccc(C(=O)OCCCC)cc2)(=O)=O)ccc(C(=O)OCCCC)cc1
SPLASH splash10-0bt9-8109000000-a8fdd2d33d666e1caa8d
Source of Spectrum IC-1140-0-0
Wiley ID 1377130